Ethyl 3-(4-Hydroxyphenyl)-5-Methylisoxazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 3-(4-Hydroxyphenyl)-5-Methylisoxazole-4-carboxylate
• CAS No.: 1071788-87-8
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.24662
• Mol file: 1071788-87-8.mol

Synonyms:Ethyl 3-(4-Hydroxyphenyl)-5-Methylisoxazole-4-carboxylate

Chemical Property of Ethyl 3-(4-Hydroxyphenyl)-5-Methylisoxazole-4-carboxylate

Chemical Property:

• Boiling Point: 416.0±45.0 °C(Predicted)
• PKA: 8.34±0.15(Predicted)
• PSA: 72.56000
• Density: 1.237±0.06 g/cm3(Predicted)
• LogP: 2.53230

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(4-Hydroxyphenyl)-5-methylisoxazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 3-(4-Hydroxyphenyl)-5-Methylisoxazole-4-carboxylate

There total 3 articles about Ethyl 3-(4-Hydroxyphenyl)-5-Methylisoxazole-4-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

sodium ethyl acetylacetate enolate (1007476-32-5) + N-hydroxy-4-hydroxy-benzenecarboximidoyl chloride (207297-08-3) → ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate (1071788-87-8)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 1h; pH=10;

DOI:10.22159/ijpps.2019v11i4.31933

Reference yield:

4-hydroxybenzaldehyde oxime (699-06-9,60221-52-5,60221-53-6) → ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate (1071788-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chloro-succinimide / N,N-dimethyl-formamide / 12 h

2: sodium hydroxide / water; methanol / 1 h / 20 °C / pH 10

With N-chloro-succinimide; sodium hydroxide; In methanol; water; N,N-dimethyl-formamide;

DOI:10.22159/ijpps.2019v11i4.31933

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate (1071788-87-8)

Guidance literature:

Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride; sodium hydroxide; sodium acetate / methanol / Reflux

2: N-chloro-succinimide / N,N-dimethyl-formamide / 12 h

3: sodium hydroxide / water; methanol / 1 h / 20 °C / pH 10

With N-chloro-succinimide; hydroxylamine hydrochloride; sodium acetate; sodium hydroxide; In methanol; water; N,N-dimethyl-formamide;

DOI:10.22159/ijpps.2019v11i4.31933

upstream raw materials:

4-hydroxybenzaldehyde oxime

sodium ethyl acetylacetate enolate

N-hydroxy-4-hydroxy-benzenecarboximidoyl chloride

4-hydroxy-benzaldehyde

Downstream raw materials:

ethyl 3-(4-(allyloxy)phenyl)-5-methylisoxazole-4-carboxylate